(7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

C6H7NO2 — CID 11535557

IUPAC(7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESO=C1OC[C@@H]2C=CCN12
InChIInChI=1S/C6H7NO2/c8-6-7-3-1-2-5(7)4-9-6/h1-2,5H,3-4H2/t5-/m0/s1
InChIKeyBOEKBAFJZFGCRD-YFKPBYRVSA-N
MW125.13 g/mol
LogP0.38
Rot. Bonds

About (7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

(7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 11535557) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is (7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name(7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID11535557
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name(7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESO=C1OC[C@@H]2C=CCN12
InChIInChI=1S/C6H7NO2/c8-6-7-3-1-2-5(7)4-9-6/h1-2,5H,3-4H2/t5-/m0/s1
InChIKeyBOEKBAFJZFGCRD-YFKPBYRVSA-N
XLogP0.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Vinyl-Methyl-Oxazolidinon
CID 13928327
5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 11344018
(9Z,10aS)-1,5,6,7,8,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one
CID 10986638
4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one
CID 42643977
4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one
CID 42643983
(4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 101062784
(4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 101062786
4-Ethenyl-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 10986450
4-Ethenyl-3-ethyl-1,3-oxazolidin-2-one
CID 22891811
3-But-3-en-2-yl-1,3-oxazolidin-2-one
CID 23283739
1,5,6,8a-Tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 58724353
6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 59155286

Frequently Asked Questions

What is the IUPAC name of (7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of (7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (CID 11535557) is (7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for (7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for (7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is O=C1OC[C@@H]2C=CCN12.
What is the InChIKey of (7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is BOEKBAFJZFGCRD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H7NO2/c8-6-7-3-1-2-5(7)4-9-6/h1-2,5H,3-4H2/t5-/m0/s1.
What are the key properties of (7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
(7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 125.13 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 11535557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).